(5S)-5-(hydroxymethyl)oxolan-2-one

C5H8O3 — CID 2733813

IUPAC(5S)-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1CC[C@@H](CO)O1
InChIInChI=1S/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2/t4-/m0/s1
InChIKeyNSISJFFVIMQBRN-BYPYZUCNSA-N
MW116.12 g/mol
LogP-0.32
Rot. Bonds1

About (5S)-5-(hydroxymethyl)oxolan-2-one

(5S)-5-(hydroxymethyl)oxolan-2-one (PubChem CID 2733813) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (5S)-5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(hydroxymethyl)oxolan-2-one
PubChem CID2733813
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(5S)-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1CC[C@@H](CO)O1
InChIInChI=1S/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2/t4-/m0/s1
InChIKeyNSISJFFVIMQBRN-BYPYZUCNSA-N
XLogP-0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of (5S)-5-(hydroxymethyl)oxolan-2-one (CID 2733813) is (5S)-5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(hydroxymethyl)oxolan-2-one is O=C1CC[C@@H](CO)O1.
What is the InChIKey of (5S)-5-(hydroxymethyl)oxolan-2-one?
The InChIKey is NSISJFFVIMQBRN-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2/t4-/m0/s1.
What are the key properties of (5S)-5-(hydroxymethyl)oxolan-2-one?
(5S)-5-(hydroxymethyl)oxolan-2-one has a molecular weight of 116.12 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 2733813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).